5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide

C18H20N8O — CID 122326959

IUPAC5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)c3cnc(C)cn3)nn2)nc1
InChIInChI=1S/C18H20N8O/c1-12-3-4-15(23-9-12)24-17-6-5-16(25-26-17)19-7-8-20-18(27)14-11-21-13(2)10-22-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,20,27)(H,23,24,26)
InChIKeyOHYWDDMUAGWRHO-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.86
Rot. Bonds7

About 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide

5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 122326959) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID122326959
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)c3cnc(C)cn3)nn2)nc1
InChIInChI=1S/C18H20N8O/c1-12-3-4-15(23-9-12)24-17-6-5-16(25-26-17)19-7-8-20-18(27)14-11-21-13(2)10-22-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,20,27)(H,23,24,26)
InChIKeyOHYWDDMUAGWRHO-UHFFFAOYSA-N
XLogP1.86
TPSA117.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122326916
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122326956
2-methoxy-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122326966
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122326918
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 122326707
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
CID 122326948
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326923
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide (CID 122326959) is 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide is Cc1ccc(Nc2ccc(NCCNC(=O)c3cnc(C)cn3)nn2)nc1.
What is the InChIKey of 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is OHYWDDMUAGWRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-12-3-4-15(23-9-12)24-17-6-5-16(25-26-17)19-7-8-20-18(27)14-11-21-13(2)10-22-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,20,27)(H,23,24,26).
What are the key properties of 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide?
5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122326959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).